ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate

C14H20ClNO2 — CID 91100627

IUPACethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate
SMILES[H]/N=C(\OCC)C(CCCCl)c1ccccc1OC
InChIInChI=1S/C14H20ClNO2/c1-3-18-14(16)12(8-6-10-15)11-7-4-5-9-13(11)17-2/h4-5,7,9,12,16H,3,6,8,10H2,1-2H3/b16-14-
InChIKeyQHVXACHGNJEBAI-PEZBUJJGSA-N
MW269.77 g/mol
LogP3.81
Rot. Bonds7

About ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate

ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate (PubChem CID 91100627) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate
PubChem CID91100627
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate
SMILES[H]/N=C(\OCC)C(CCCCl)c1ccccc1OC
InChIInChI=1S/C14H20ClNO2/c1-3-18-14(16)12(8-6-10-15)11-7-4-5-9-13(11)17-2/h4-5,7,9,12,16H,3,6,8,10H2,1-2H3/b16-14-
InChIKeyQHVXACHGNJEBAI-PEZBUJJGSA-N
XLogP3.81
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-tert-butyl-2-chlorophenyl)-5-chloropentanimidate
CID 70229061
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 5-chloro-2-(4-phenylcyclohexa-2,4-dien-1-yl)pentanimidate
CID 90953833
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
ethyl 2-chloro-6-methoxybenzenecarboximidate
CID 104817644
ethyl (2R)-2-naphthalen-1-ylpropanimidate
CID 125482939
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl 2-(2-fluoro-3-methoxyphenyl)-3-iminobutanoate
CID 123902824

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate?
The IUPAC name of ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate (CID 91100627) is ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate.
What is the SMILES notation for ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate?
The canonical SMILES for ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate is [H]/N=C(\OCC)C(CCCCl)c1ccccc1OC.
What is the InChIKey of ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate?
The InChIKey is QHVXACHGNJEBAI-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-18-14(16)12(8-6-10-15)11-7-4-5-9-13(11)17-2/h4-5,7,9,12,16H,3,6,8,10H2,1-2H3/b16-14-.
What are the key properties of ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate?
ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate has a molecular weight of 269.77 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate is sourced from PubChem (CID 91100627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).